6F0T

Crystal structure of Pizza6-SFW

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 1
Unit cell lengths	32.529, 69.454, 78.710
Unit cell angles	65.36, 89.80, 77.16

Refinement procedure

Resolution	38.930 - 1.740
R-factor	0.1945
Rwork	0.192
R-free	0.23330
RMSD bond length	0.006
RMSD bond angle	0.842
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.930	1.770
High resolution limit [Å]	1.740	1.740
Rmerge	0.053	0.635
Rpim	0.043	0.499
Number of reflections	61581
<I/σ(I)>	11.4
Completeness [%]	98.5	96.1
Redundancy	4.1	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	0.25 M calcium chloride 15% (w/v) PEG6000, and 0.1 M MES pH 6.0